(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone

C12H22N2O2 — CID 60849021

IUPAC(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNC1CCC(C(=O)N2CCCC(O)C2)CC1
InChIInChI=1S/C12H22N2O2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h9-11,15H,1-8,13H2
InChIKeyDSLNGTWMBGQWEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds1

About (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone

(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 60849021) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID60849021
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNC1CCC(C(=O)N2CCCC(O)C2)CC1
InChIInChI=1S/C12H22N2O2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h9-11,15H,1-8,13H2
InChIKeyDSLNGTWMBGQWEQ-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 107224557
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
(4-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 20754665
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone (CID 60849021) is (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone is NC1CCC(C(=O)N2CCCC(O)C2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is DSLNGTWMBGQWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h9-11,15H,1-8,13H2.
What are the key properties of (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone?
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 60849021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).